CID 25203730

4-deoxycohumulone

Structural Information

Molecular Formula
C20H28O4
SMILES
CC(C)C(=O)C1=C(C(=C(C(=C1O)CC=C(C)C)O)CC=C(C)C)O
InChI
InChI=1S/C20H28O4/c1-11(2)7-9-14-18(22)15(10-8-12(3)4)20(24)16(19(14)23)17(21)13(5)6/h7-8,13,22-24H,9-10H2,1-6H3
InChIKey
KKFIZYKKQLWBKH-UHFFFAOYSA-N
Compound name
2-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

36
Patents

332.19876 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20604 183.2
[M+Na]+ 355.18798 192.0
[M+NH4]+ 350.23258 186.8
[M+K]+ 371.16192 188.4
[M-H]- 331.19148 181.2
[M+Na-2H]- 353.17343 182.6
[M]+ 332.19821 183.4
[M]- 332.19931 183.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe